(6-bromo-5-methyl-3-pyridinyl)-phenylmethanone

C13H10BrNO — CID 102544486

IUPAC(6-bromo-5-methyl-3-pyridinyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)cnc1Br
InChIInChI=1S/C13H10BrNO/c1-9-7-11(8-15-13(9)14)12(16)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyTXHYKIRCVFSWGU-UHFFFAOYSA-N
MW276.13 g/mol
LogP3.38
Rot. Bonds2

About (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone

(6-bromo-5-methyl-3-pyridinyl)-phenylmethanone (PubChem CID 102544486) has the molecular formula C13H10BrNO and a molecular weight of 276.13 g/mol. Its IUPAC name is (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(6-bromo-5-methyl-3-pyridinyl)-phenylmethanone
PubChem CID102544486
Molecular FormulaC13H10BrNO
Molecular Weight276.13 g/mol
Exact Mass274.99
IUPAC Name(6-bromo-5-methyl-3-pyridinyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)cnc1Br
InChIInChI=1S/C13H10BrNO/c1-9-7-11(8-15-13(9)14)12(16)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyTXHYKIRCVFSWGU-UHFFFAOYSA-N
XLogP3.38
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-6-phenoxy-3-pyridinyl)-phenylmethanone
CID 102544607
(5-methyl-6-morpholin-4-yl-3-pyridinyl)-phenylmethanone
CID 102544847
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
6-bromo-5-methylpyridine-3-carboxylic acid;5-methyl-6-(6-methyl-2-pyridinyl)pyridine-3-carboxylic acid;tetrakis(triphenylphosphane)
CID 54127573
5-benzoylpyridine-2-carboxylic acid
CID 165358123
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070
(2-methyl-4-pyridinyl)-phenylmethanone
CID 12913274
diphenylmethanone;gold
CID 174931146
cobalt(2+);diphenylmethanone
CID 19033779
disodium;diphenylmethanone
CID 19380838
bis(diphenylmethanone);dihydrochloride
CID 69107757

Frequently Asked Questions

What is the IUPAC name of (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone?
The IUPAC name of (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone (CID 102544486) is (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone.
What is the SMILES notation for (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone?
The canonical SMILES for (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)cnc1Br.
What is the InChIKey of (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone?
The InChIKey is TXHYKIRCVFSWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO/c1-9-7-11(8-15-13(9)14)12(16)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone?
(6-bromo-5-methyl-3-pyridinyl)-phenylmethanone has a molecular weight of 276.13 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-methyl-3-pyridinyl)-phenylmethanone is sourced from PubChem (CID 102544486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).